Geometry & MOs

Info

ID:	322602
PubChem CID:	126670626
Reduced:	N2F3O4C16H23 (1)
Stoich.:	A2B3C4D16E23 (1)
Weight, g/mol:	295.085384
ΔH_f, kcal/mol:	-315.45
Dipole, Da:	10.47
IP(EA), eV:	-9.1(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3,3-trifluoro-1-[(2R)-2-hydroxy-10-thia-4-azatricyclo[4.4.1.03,8]undecan-4-yl]propan-1-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1[C@H]2CC3CC1C([C@H]2O)N(C3)C(=O)CC(F)(F)F

DOS

IR

Vibrations